1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone

C21H21FN4O2 — CID 124943238

IUPAC1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN4O2/c1-13-21(14(2)28-25-13)18-12-23-11-17(24-18)19-4-3-9-26(19)20(27)10-15-5-7-16(22)8-6-15/h5-8,11-12,19H,3-4,9-10H2,1-2H3/t19-/m1/s1
InChIKeyBBAPRSUDDIKDGC-LJQANCHMSA-N
MW380.42 g/mol
LogP3.79
Rot. Bonds4

About 1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 124943238) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID124943238
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C21H21FN4O2/c1-13-21(14(2)28-25-13)18-12-23-11-17(24-18)19-4-3-9-26(19)20(27)10-15-5-7-16(22)8-6-15/h5-8,11-12,19H,3-4,9-10H2,1-2H3/t19-/m1/s1
InChIKeyBBAPRSUDDIKDGC-LJQANCHMSA-N
XLogP3.79
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110135353
2-amino-1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110129418
1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124977166
1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124996891
(2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124969371
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 110129583
[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 124969712
1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110129510
[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 125002559
1-[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 110270195
1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 110135347
1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 136766052

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 124943238) is 1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone is Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1.
What is the InChIKey of 1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is BBAPRSUDDIKDGC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-13-21(14(2)28-25-13)18-12-23-11-17(24-18)19-4-3-9-26(19)20(27)10-15-5-7-16(22)8-6-15/h5-8,11-12,19H,3-4,9-10H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 380.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 124943238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).